SCHEMBL3402186

SCHEMBL3402186

CCCCCNC(c1ccccc1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.72
POLB P06746 2/20 0.72
MAPT P10636 1/20 0.72
MTOR P42345 1/20 0.65
RAB9A P51151 1/20 0.65
GRM7 Q14831 1/20 0.65
CYP3A4 P08684 1/20 0.63
ALOX15 P16050 1/20 0.63
TSHR P16473 1/20 0.63
LMNA P02545 1/20 0.54
HSD17B10 Q99714 1/20 0.54
NAAA Q02083 3/20 0.50
SIGMAR1 Q99720 2/20 0.47
DUT P33316 2/20 0.47
NPSR1 Q6W5P4 1/20 0.45
KCNH3 Q9ULD8 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL11127107 0.98 ALDH1A1 (0.70) ALDH1A1POLBMAPTMTORRAB9A
Water SCHEMBL11439219 0.98 ALDH1A1 (0.70) ALDH1A1POLBMAPTMTORRAB9A
Hydrochloric Acid SCHEMBL11126418 0.96 ALDH1A1 (0.68) ALDH1A1POLBMAPTMTORRAB9A
Water SCHEMBL11427823 0.96 ALDH1A1 (0.68) ALDH1A1POLBMAPTMTORRAB9A
Water SCHEMBL11425503 0.96 ALDH1A1 (0.68) ALDH1A1POLBMAPTMTORRAB9A
Hydrochloric Acid SCHEMBL11129806 0.96 ALDH1A1 (0.68) ALDH1A1POLBMAPTMTORRAB9A
Water SCHEMBL11427822 0.96 ALDH1A1 (0.68) ALDH1A1POLBMAPTMTORRAB9A
Hydrochloric Acid SCHEMBL11128098 0.96 ALDH1A1 (0.68) ALDH1A1POLBMAPTMTORRAB9A
Hydrochloric Acid SCHEMBL11130204 0.96 ALDH1A1 (0.68) ALDH1A1POLBMAPTMTORRAB9A
Water SCHEMBL11439919 0.96 ALDH1A1 (0.68) ALDH1A1POLBMAPTMTORRAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3210672-B2 2001-09-17 JP claimed
EP-0699208-A1 NOVEL PEPTIDE NUCLEIC ACIDS NIELSEN, Peter Eigil (DK) 1996-03-06 EP claimed
WO-1994025477-A2 NOVEL PEPTIDE NUCLEIC ACIDS NIELSEN PETER E (DK) 1994-11-10 WO claimed
EP-0586474-A1 PEPTIDE NUCLEIC ACIDS BUCHARDT, Ole (DK) 1994-03-16 EP claimed
US-7700706-B2 Polymeric beads for oligomer synthesis ISIS PHARMACEUTICALS, INC. (US) 2010-04-20 US disclosed
EP-0960121-A4 PEPTIDE NUCLEIC ACIDS HAVING ENHANCED BINDING AFFINITY, SEQUENCE SPECIFICITY AND SOLUBILITY BUCHARDT DORTE (DK) 2003-05-28 EP disclosed
EP-1305798-A2 OPTICAL STORAGE USING MATERIALS COMPRISING CHROMOPHORE OLIGOMERS WHICH CAN UNDERGO CYCLOADDITION Riso National Laboratory (DK) 2003-05-02 EP disclosed
WO-2001097217-A2 OPTICAL STORAGE USING MATERIALS COMPRISING CHROMOPHORE OLIGOMERS WHICH CAN UNDERGO CYCLOADDITION OPTILINK AB (SE) 2001-12-20 WO disclosed
EP-0773950-A4 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS INC (US) 2000-05-17 EP disclosed
EP-0960121-A1 PEPTIDE NUCLEIC ACIDS HAVING ENHANCED BINDING AFFINITY, SEQUENCE SPECIFICITY AND SOLUBILITY BUCHARDT, Dorte (DK) 1999-12-01 EP disclosed
WO-1998003542-A1 PEPTIDE NUCLEIC ACIDS HAVING ENHANCED BINDING AFFINITY, SEQUENCE SPECIFICITY AND SOLUBILITY BUCHARDT, DORTE (DK) 1998-01-29 WO disclosed
EP-0773950-A1 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. (US) 1997-05-21 EP disclosed
WO-1996002558-A1 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. (US) 1996-02-01 WO disclosed